2-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]propane-1-sulfonamide

Systemtic Name: 2-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]propane-1-sulfonamide Openeye Name: 2-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]propane-1-sulfonamide CAS Name: 2-methyl-N-[4-[4-(3-nitrophenyl)-1-piperazinyl]butyl]-1-propanesulfonamide IUPAC Name: 2-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]propane-1-sulfonamide Traditional Name: 2-methyl-N-[4-[4-(3-nitrophenyl)piperazino]butyl]propane-1-sulfonamide Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-16(2)15-27(25,26)19-8-3-4-9-20-10-12-21(13-11-20)17-6-5-7-18(14-17)22(23)24/h5-7,14,16,19H,3-4,8-13,15H2,1-2H3